tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride

C88H95ClF12N10O15S3 — CID 160720054

IUPACtert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride
SMILESCC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)[C@@H](n2c3ccc(F)cc3c3cc(F)ccc32)C1.CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H](n2c3ccc(F)cc3c3cc(F)ccc32)C1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.O=S(=O)(N[C@@H]1CNC[C@H](n2c3ccc(F)cc3c3cc(F)ccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C29H28F5N3O6S.C24H20F5N3O4S.C22H25F2N3O3.C7H7ClO2S.C6H15N/c1-28(2,3)43-27(39)36-14-22(35-44(40,41)19-8-6-18(7-9-19)42-29(32,33)34)26(38)25(15-36)37-23-10-4-16(30)12-20(23)21-13-17(31)5-11-24(21)37;25-13-1-7-20-17(9-13)18-10-14(26)2-8-21(18)32(20)22-12-30-11-19(23(22)33)31-37(34,35)16-5-3-15(4-6-16)36-24(27,28)29;1-22(2,3)30-21(29)26-10-16(25)20(28)19(11-26)27-17-6-4-12(23)8-14(17)15-9-13(24)5-7-18(15)27;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h4-13,22,25-26,35,38H,14-15H2,1-3H3;1-10,19,22-23,30-31,33H,11-12H2;4-9,16,19-20,28H,10-11,25H2,1-3H3;2-5H,1H3;4-6H2,1-3H3/t22-,25+,26+;19-,22+,23+;16-,19+,20+;;/m111../s1
InChIKeyRSZGEUBCZGECCQ-VNHPZARNSA-N
MW1892.41 g/mol
LogP16.12
Rot. Bonds15

About tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride

tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride (PubChem CID 160720054) has the molecular formula C88H95ClF12N10O15S3 and a molecular weight of 1892.41 g/mol. Its IUPAC name is tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Nametert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride
PubChem CID160720054
Molecular FormulaC88H95ClF12N10O15S3
Molecular Weight1892.41 g/mol
Exact Mass1890.56
IUPAC Nametert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride
SMILESCC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)[C@@H](n2c3ccc(F)cc3c3cc(F)ccc32)C1.CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H](n2c3ccc(F)cc3c3cc(F)ccc32)C1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.O=S(=O)(N[C@@H]1CNC[C@H](n2c3ccc(F)cc3c3cc(F)ccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C29H28F5N3O6S.C24H20F5N3O4S.C22H25F2N3O3.C7H7ClO2S.C6H15N/c1-28(2,3)43-27(39)36-14-22(35-44(40,41)19-8-6-18(7-9-19)42-29(32,33)34)26(38)25(15-36)37-23-10-4-16(30)12-20(23)21-13-17(31)5-11-24(21)37;25-13-1-7-20-17(9-13)18-10-14(26)2-8-21(18)32(20)22-12-30-11-19(23(22)33)31-37(34,35)16-5-3-15(4-6-16)36-24(27,28)29;1-22(2,3)30-21(29)26-10-16(25)20(28)19(11-26)27-17-6-4-12(23)8-14(17)15-9-13(24)5-7-18(15)27;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h4-13,22,25-26,35,38H,14-15H2,1-3H3;1-10,19,22-23,30-31,33H,11-12H2;4-9,16,19-20,28H,10-11,25H2,1-3H3;2-5H,1H3;4-6H2,1-3H3/t22-,25+,26+;19-,22+,23+;16-,19+,20+;;/m111../s1
InChIKeyRSZGEUBCZGECCQ-VNHPZARNSA-N
XLogP16.12
TPSA320.79 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.41
LogP ≤ 516.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-3-[4-[[(2R)-3-carbazol-9-yl-2-hydroxycyclohexyl]amino]carbazol-9-yl]-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 124196852
N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126673510
tert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126673512
N-(1-tert-butyl-5-carbazol-9-yl-4-hydroxypiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 126673524
3-(3,6-Difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
CID 126673565
3-Carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
CID 126673567
tert-butyl (5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126673612
N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126673618
tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126673619
tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126693699
N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126693704
Tert-butyl 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126693707

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride?
The IUPAC name of tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride (CID 160720054) is tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride.
What is the SMILES notation for tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride?
The canonical SMILES for tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride is CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)[C@@H](n2c3ccc(F)cc3c3cc(F)ccc32)C1.CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H](n2c3ccc(F)cc3c3cc(F)ccc32)C1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.O=S(=O)(N[C@@H]1CNC[C@H](n2c3ccc(F)cc3c3cc(F)ccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride?
The InChIKey is RSZGEUBCZGECCQ-VNHPZARNSA-N. The full InChI is InChI=1S/C29H28F5N3O6S.C24H20F5N3O4S.C22H25F2N3O3.C7H7ClO2S.C6H15N/c1-28(2,3)43-27(39)36-14-22(35-44(40,41)19-8-6-18(7-9-19)42-29(32,33)34)26(38)25(15-36)37-23-10-4-16(30)12-20(23)21-13-17(31)5-11-24(21)37;25-13-1-7-20-17(9-13)18-10-14(26)2-8-21(18)32(20)22-12-30-11-19(23(22)33)31-37(34,35)16-5-3-15(4-6-16)36-24(27,28)29;1-22(2,3)30-21(29)26-10-16(25)20(28)19(11-26)27-17-6-4-12(23)8-14(17)15-9-13(24)5-7-18(15)27;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h4-13,22,25-26,35,38H,14-15H2,1-3H3;1-10,19,22-23,30-31,33H,11-12H2;4-9,16,19-20,28H,10-11,25H2,1-3H3;2-5H,1H3;4-6H2,1-3H3/t22-,25+,26+;19-,22+,23+;16-,19+,20+;;/m111../s1.
What are the key properties of tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride?
tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride has a molecular weight of 1892.41 g/mol, XLogP of 16.12, 15 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S,5S)-3-amino-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 160720054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).